Geometry & MOs

Info

ID:	351813
PubChem CID:	127282213
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	376.193297
ΔH_f, kcal/mol:	-87.14
Dipole, Da:	5.52
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-pyridin-4-ylsulfanylacetyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations